8-chloro-3-methyl-4-(4-methylsulfinylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one

C19H15ClN2O2S — CID 144861924

IUPAC8-chloro-3-methyl-4-(4-methylsulfinylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one
SMILESCc1c(-c2ccc(S(C)=O)cc2)c2[nH]c3ccc(Cl)cc3c2[nH]c1=O
InChIInChI=1S/C19H15ClN2O2S/c1-10-16(11-3-6-13(7-4-11)25(2)24)18-17(22-19(10)23)14-9-12(20)5-8-15(14)21-18/h3-9,21H,1-2H3,(H,22,23)
InChIKeyPRSJTGQQSVIUGC-UHFFFAOYSA-N
MW370.86 g/mol
LogP4.38
Rot. Bonds2

About 8-chloro-3-methyl-4-(4-methylsulfinylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one

8-chloro-3-methyl-4-(4-methylsulfinylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one (PubChem CID 144861924) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is 8-chloro-3-methyl-4-(4-methylsulfinylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one.

Molecular Properties

Compound Name8-chloro-3-methyl-4-(4-methylsulfinylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one
PubChem CID144861924
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC Name8-chloro-3-methyl-4-(4-methylsulfinylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one
SMILESCc1c(-c2ccc(S(C)=O)cc2)c2[nH]c3ccc(Cl)cc3c2[nH]c1=O
InChIInChI=1S/C19H15ClN2O2S/c1-10-16(11-3-6-13(7-4-11)25(2)24)18-17(22-19(10)23)14-9-12(20)5-8-15(14)21-18/h3-9,21H,1-2H3,(H,22,23)
InChIKeyPRSJTGQQSVIUGC-UHFFFAOYSA-N
XLogP4.38
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methyl-4-(4-methylsulfinylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one?
The IUPAC name of 8-chloro-3-methyl-4-(4-methylsulfinylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one (CID 144861924) is 8-chloro-3-methyl-4-(4-methylsulfinylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one.
What is the SMILES notation for 8-chloro-3-methyl-4-(4-methylsulfinylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one?
The canonical SMILES for 8-chloro-3-methyl-4-(4-methylsulfinylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one is Cc1c(-c2ccc(S(C)=O)cc2)c2[nH]c3ccc(Cl)cc3c2[nH]c1=O.
What is the InChIKey of 8-chloro-3-methyl-4-(4-methylsulfinylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one?
The InChIKey is PRSJTGQQSVIUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c1-10-16(11-3-6-13(7-4-11)25(2)24)18-17(22-19(10)23)14-9-12(20)5-8-15(14)21-18/h3-9,21H,1-2H3,(H,22,23).
What are the key properties of 8-chloro-3-methyl-4-(4-methylsulfinylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one?
8-chloro-3-methyl-4-(4-methylsulfinylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one has a molecular weight of 370.86 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methyl-4-(4-methylsulfinylphenyl)-1,5-dihydropyrido[3,2-b]indol-2-one is sourced from PubChem (CID 144861924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).